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3-(benzylthio)propionic acid

View entire compound with spectra: 2 NMR, 1 UV-Vis, and 1 MS (GC)

3-(benzylthio)propionic acid
SpectraBase Compound ID 2N5XWC9K7nX
InChI InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey NDBNSZKHDMXOJE-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JAx8K0XCaJf
Name 3-(BENZYLTHIO)PROPIONIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey NDBNSZKHDMXOJE-UHFFFAOYSA-N
Melting Point 81-82C
Molecular Weight 196.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PROPIONIC ACID, 3-/BENZYLTHIO/-,